基底对硅纳米线热导率影响的分子动力学模拟

• 作 者: 王建强 魏志勇 毕可东 陈敏华 陈云飞
• 机 构: 东南大学机械工程学院,东南大学江苏省微纳生物医疗器械设计与制造重点实验室,东南大学MEMS教育部重点实验室,
• 出 处: 工程热物理学报
• 发表日期: 2011年06期
• 关键词: 切向热导率 纳米线 基底 分子动力学

采用非平衡态分子动力学模拟的方法研究了硅纳米线平放在基底上的轴向热导率,结果表明基底的存在降低了纳米线的热导率,且随着温度的升高,热导率逐渐降低。通过改变纳米线与基底之间的范德华作用力强度,研究了基底约束对硅纳米线热导率的影响,结果表明,随着作用力强度的增加,纳米线热导率逐渐减小。模拟结果还显示,基底维数的降低能够进一步减小硅纳米线的热导率。

The non-equilibrium molecular dynamics simulation method was used to study the axial thermal conductivity of the silicon nanowire lay flat on the substrate. The results show that the existence of the substrate reduces the thermal conductivity of the nanowire. With the increase of temperature, Conductivity gradually decreased. By changing the Van der Waals force intensity between the nanowire and the substrate, the influence of the substrate constraint on the thermal conductivity of the silicon nanowires has been studied. The results show that the thermal conductivity of the nanowires decreases with the increase of the strength of the nanowires. Simulation results also show that the reduction of the substrate dimension can further reduce the thermal conductivity of silicon nanowires.